| SpectraBase Compound ID | 7GKR6MeRszC |
|---|---|
| InChI | InChI=1S/C13H14ClF2NO3/c1-8(17(2)12(18)13(14,15)16)5-9-3-4-10-11(6-9)20-7-19-10/h3-4,6,8H,5,7H2,1-2H3 |
| InChIKey | UAKMOVAWLADHCS-UHFFFAOYSA-N |
| Mol Weight | 305.71 g/mol |
| Molecular Formula | C13H14ClF2NO3 |
| Exact Mass | 305.063027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8k6LZExZdDj |
|---|---|
| Name | (.+/-.)-mdma, N-chlorodifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.063027338 u |
| Formula | C13H14ClF2NO3 |
| InChI | InChI=1S/C13H14ClF2NO3/c1-8(17(2)12(18)13(14,15)16)5-9-3-4-10-11(6-9)20-7-19-10/h3-4,6,8H,5,7H2,1-2H3 |
| InChIKey | UAKMOVAWLADHCS-UHFFFAOYSA-N |
| Molecular Weight | 305.709 g/mol |
| SMILES | C12=C(C=CC(=C2)CC(N(C)C(C(F)(F)Cl)=O)C)OCO1 |